(nonan-5-ylideneamino) acetate

C11H21NO2 — CID 87078854

IUPAC(nonan-5-ylideneamino) acetate
SMILESCCCCC(CCCC)=NOC(C)=O
InChIInChI=1S/C11H21NO2/c1-4-6-8-11(9-7-5-2)12-14-10(3)13/h4-9H2,1-3H3
InChIKeyNXOTVYKDNLZXMG-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.29
Rot. Bonds7

About (nonan-5-ylideneamino) acetate

(nonan-5-ylideneamino) acetate (PubChem CID 87078854) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (nonan-5-ylideneamino) acetate.

Molecular Properties

Compound Name(nonan-5-ylideneamino) acetate
PubChem CID87078854
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(nonan-5-ylideneamino) acetate
SMILESCCCCC(CCCC)=NOC(C)=O
InChIInChI=1S/C11H21NO2/c1-4-6-8-11(9-7-5-2)12-14-10(3)13/h4-9H2,1-3H3
InChIKeyNXOTVYKDNLZXMG-UHFFFAOYSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (nonan-5-ylideneamino) acetate?
The IUPAC name of (nonan-5-ylideneamino) acetate (CID 87078854) is (nonan-5-ylideneamino) acetate.
What is the SMILES notation for (nonan-5-ylideneamino) acetate?
The canonical SMILES for (nonan-5-ylideneamino) acetate is CCCCC(CCCC)=NOC(C)=O.
What is the InChIKey of (nonan-5-ylideneamino) acetate?
The InChIKey is NXOTVYKDNLZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-8-11(9-7-5-2)12-14-10(3)13/h4-9H2,1-3H3.
What are the key properties of (nonan-5-ylideneamino) acetate?
(nonan-5-ylideneamino) acetate has a molecular weight of 199.29 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (nonan-5-ylideneamino) acetate is sourced from PubChem (CID 87078854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).